6,6-dimethyl-11-(2-methylpropyl)-9-[(propan-2-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,6-dimethyl-11-(2-methylpropyl)-9-[(propan-2-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6-dimethyl-11-(2-methylpropyl)-9-[(propan-2-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0325 |
| Compound Name: | 6,6-dimethyl-11-(2-methylpropyl)-9-[(propan-2-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C22 H28 N4 O S |
| Smiles: | CC(C)CN1C2=NC3=C(C(N2C(=N1)SC(C)C)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.4191 |
| logD: | 5.4037 |
| logSw: | -5.4519 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.84 |
| InChI Key: | HIUIPTYXAJGENS-UHFFFAOYSA-N |